N-butyl-4-[6-chloranyl-2-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-[3-(2-methyl-1-piperidyl)propylamino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-[3-(2-methyl-1-piperidinyl)propylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-keto-2-[3-(2-methylpiperidino)propylamino]ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C25H42ClN7O2S MolecularWeight: 540.16468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCCCC3C)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCCCC3C)Cl

InChI

InChI=1S/C25H42ClN7O2S/c1-4-5-10-28-25(35)33-15-14-32(17-20(33)3)22-16-21(26)29-24(30-22)36-18-23(34)27-11-8-13-31-12-7-6-9-19(31)2/h16,19-20H,4-15,17-18H2,1-3H3,(H,27,34)(H,28,35)